NdAgH6
Alexandria ALEXAlex-ID: agm079432882 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_4_spg166
NdH3 H2 Ag
2025-06-26 13:46:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079432882).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm079432882
data_agm079432882
_cell_length_a 3.89858
_cell_length_b 3.82946
_cell_length_c 6.87189
_cell_angle_alpha 70.65504
_cell_angle_beta 64.24063
_cell_angle_gamma 66.53762
_cell_volume 83.19034
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1 Nd 0.42069 0.81439 0.65402 1.00000
Ag1 Ag 0.56489 0.53060 0.21528 1.00000
H1 H 0.40701 0.14364 0.91168 1.00000
H2 H 0.73893 0.63227 0.91005 1.00000
H3 H 0.20703 0.49519 0.52287 1.00000
H4 H 0.81596 0.16729 0.59226 1.00000
H5 H 0.18407 0.26372 0.92269 1.00000
H6 H 0.66141 0.95290 0.27115 1.00000
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